3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-hydroxy-2-phenylethyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-4-yl]methanone Formula: C23H29N2O2+ MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C23H28N2O2/c26-22(19-7-2-1-3-8-19)17-24-13-10-20(11-14-24)23(27)25-15-12-18-6-4-5-9-21(18)16-25/h1-9,20,22,26H,10-17H2/p+1/t22-/m1/s1